N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide

C14H20ClFN2O2S — CID 79113661

IUPACN-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-14(16)13(15)9-12/h7-11H,2-6,17H2,1H3
InChIKeyKOYRJZPBFGSIDD-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.76
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide

N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 79113661) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID79113661
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC NameN-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-14(16)13(15)9-12/h7-11H,2-6,17H2,1H3
InChIKeyKOYRJZPBFGSIDD-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 107091207
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
CID 103100478

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide (CID 79113661) is N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is KOYRJZPBFGSIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-14(16)13(15)9-12/h7-11H,2-6,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide?
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).